COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL438880
Chemical Name: N-1,3-benzodioxol-5-yl-N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N~2~-(2-methylbenzyl)valinamide
Smiles: Cc1nc(SCC(=O)N(C(C(=O)Nc2ccc3c(c2)OCO3)C(C)C)Cc2ccccc2C)nc(c1)C

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Molecular Weight: 520.65
Empirical Formula: C28H32N4O4S

Physical State: Dry powder
Available Amount: 22 mg

Lipinsky:
logP: 6.349
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 118
Number of rings: 4

     

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